Role of bifurcation in the bond shifting of cyclooctatetraene

Journal of Computational Chemistry

Volumn 23, Issue 7, 2002, Pages 732-736

  Castaño, Obis ^a,b   Palmeiro, Raúl ^a   Frutos, Luis Manuel ^a   Luisandrés, José ^a  

^a UNIVERSITY OF ALCALÁ   (Spain)

^b UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

Author keywords

Cyclooctatetraene; Multiconfigurational theory; Second order Jahn Teller effect; Theory of bifurcation; Transition state structure; Valley ridge inflexion point

Indexed keywords

CHEMICAL BONDS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; POTENTIAL ENERGY;

BOND SHIFTING; CYCLOOCTATETRAENE; SECOND ORDER JAHN-TELLER EFFECT; TRANSITION STATE STRUCTURE; VALLEY RIDGE INFLEXION POINT;

ORGANIC COMPOUNDS;

EID: 0036572670     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10013     Document Type: Article

References (24)